Ceftibuten | CAS No. 97519-39-6

Ceftibuten

Basic Information

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CAS Number

97519-39-6

Molecular Formula

C15H14N4O6S2

Molecular Weight

410.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

966.4°C at 760 mmHg

Flash Point

>110°(230°F)

Solubility

Soluble in aqueous solutions. Also soluble in DMSO

SMILES

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C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O

InChI

InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1

InChIKey

UNJFKXSSGBWRBZ-BJCIPQKHSA-N

LogP

-0.048199999999999854

Topological Polar Surface Area

162.92 Å²

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

755

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

ceftibuten
Ceftibuten-13C3
Sch 39720
7432S
antibiotic7432s
Ceftibutene
cephalosporin7432-s
cephem
cis-ceftibutin
s7432
Sch-39720
7-[2-(2-Amino-1,3-thiazol-4-yl)-4-carboxyisocrotonamide]-3-cephem-4-carboxylic acid
(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-buten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (ACI)
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-4-carboxy-1-oxo-2-butenyl]amino]-8-oxo-, (6R,7R)- (9CI)
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-(2-amino-4-thiazolyl)-4-carboxy-1-oxo-2-butenyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]- (ZCI)
Antibiotic 7432S
Cedax
Ceftibuten
Ceftibuten (SCH 39720)
Cephalosporin 7432-S
cis-Ceftibuten
S 7432
(6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-4-carboxybut-2-enamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MFCD00864918
(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-buten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
NSC-758925
97519-39-6
(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
BDBM50370586
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CEFTIBUTEN [INN]

MDL Number

MFCD00864918

FAQ

What regulatory guidelines apply to Ceftibuten (CAS: 97519-39-6)?

Ceftibuten (CAS: 97519-39-6) is regulated under the Chemical Abstracts Service (CAS) database. It is subject to REACH regulations in the European Union, which require manufacturers and importers to register substances if they exceed certain tonnage thresholds. In the United States, it is regulated by the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA). Specific registration and reporting requirements may apply based on the intended use and concentration of the substance.

Are there alternatives to Ceftibuten (CAS: 97519-39-6) in synthesis?

Ceftibuten (CAS: 97519-39-6) can be synthesized using various reagents, and several alternatives are available. For example, other cephalosporins or alternative antibiotic classes such as penicillins can be used as substitutes depending on the specific application. Isomers and analogs of ceftibuten, such as ceftibuten cefate, are also available, but their use should be determined by the intended application and regulatory requirements.

What is the market or research trend for Ceftibuten (CAS: 97519-39-6)?

Ceftibuten (CAS: 97519-39-6) has a niche market due to its specific use in veterinary medicine for the treatment of respiratory infections in animals. Market trends indicate a steady demand, with research focusing on its safety profile and potential new applications. Emerging studies are exploring its efficacy in different species and its potential role in combination therapies. The trend in research is towards understanding its pharmacokinetics and pharmacodynamics to optimize its use in veterinary practice.

How should waste containing Ceftibuten (CAS: 97519-39-6) be handled?

Waste containing ceftibuten (CAS: 97519-39-6) should be collected in appropriate containers, labeled with the chemical name and CAS number. For small quantities, it can be disposed of through a hazardous waste collection service. For larger quantities or those containing high concentrations, professional waste disposal services should be used. Environmental protection precautions include ensuring no spillage and proper containment to prevent contamination of soil and water. Compliance with local regulations and guidelines is essential for safe disposal.